[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine

Systemtic Name: [5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine Openeye Name: [5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine CAS Name: [5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine IUPAC Name: [5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine Traditional Name: [5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methylamine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CN

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CN

InChI

InChI=1S/C17H17N5O2S/c1-12-3-2-4-13(9-12)11-25-17-20-19-16(10-18)21(17)14-5-7-15(8-6-14)22(23)24/h2-9H,10-11,18H2,1H3