3-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c1-12-6-8-13(9-7-12)17-21-22-18(23(17)19)28-11-10-16(25)20-14-4-2-3-5-15(14)24(26)27/h2-9H,10-11,19H2,1H3,(H,20,25)