3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-bis[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]azanium

Systemtic Name: 3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-bis[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]azanium Openeye Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-bis[[2-(4-methylanilino)thiazol-4-yl]methyl]ammonium CAS Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-bis[[2-(4-methylanilino)-4-thiazolyl]methyl]ammonium IUPAC Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-bis[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]azanium Traditional Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-bis[[2-(p-toluidino)thiazol-4-yl]methyl]ammonium Formula: C30H34N9S2+ MolecularWeight: 584.78126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C[N+](C)(CCCC3=C(C(=NN3)N)C#N)CC4=CSC(=N4)NC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C[N+](C)(CCCC3=C(C(=NN3)N)C#N)CC4=CSC(=N4)NC5=CC=C(C=C5)C

InChI

InChI=1S/C30H34N9S2/c1-20-6-10-22(11-7-20)33-29-35-24(18-40-29)16-39(3,14-4-5-27-26(15-31)28(32)38-37-27)17-25-19-41-30(36-25)34-23-12-8-21(2)9-13-23/h6-13,18-19H,4-5,14,16-17H2,1-3H3,(H,33,35)(H,34,36)(H3,32,37,38)/q+1