3-[4-methyl-1-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-1-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-[(2-methyl-5-nitro-indolin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-1-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-[(2-methyl-5-nitro-indolin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1CN3C(=S)N(C(=N3)CCC(=O)N)C)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(N1CN3C(=S)N(C(=N3)CCC(=O)N)C)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3S/c1-10-7-11-8-12(22(24)25)3-4-13(11)20(10)9-21-16(26)19(2)15(18-21)6-5-14(17)23/h3-4,8,10H,5-7,9H2,1-2H3,(H2,17,23)