4-chloranyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline

Systemtic Name: 4-chloranyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline Openeye Name: 4-chloro-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline CAS Name: 4-chloro-3-[(1H-1,2,4-triazol-5-ylthio)methyl]aniline IUPAC Name: 4-chloro-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline Traditional Name: [4-chloro-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]amine Formula: C9H9ClN4S MolecularWeight: 240.71256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)CSC2=NC=NN2)Cl

Isomeric SMILES

C1=CC(=C(C=C1N)CSC2=NC=NN2)Cl

InChI

InChI=1S/C9H9ClN4S/c10-8-2-1-7(11)3-6(8)4-15-9-12-5-13-14-9/h1-3,5H,4,11H2,(H,12,13,14)