4-[(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-chloro-3-nitro-phenyl)methyleneamino]-3-(3-isopropoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-chloro-3-nitro-benzylidene)amino]-3-(3-isopropoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O3S/c1-11(2)27-14-5-3-4-13(9-14)17-21-22-18(28)23(17)20-10-12-6-7-15(19)16(8-12)24(25)26/h3-11H,1-2H3,(H,22,28)