3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methanone Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3S/c1-22-12-20-21-19(22)28-17-7-6-14(10-16(17)24(26)27)18(25)23-9-8-13-4-2-3-5-15(13)11-23/h2-7,10,12H,8-9,11H2,1H3