5-(2-chlorophenyl)-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-(2-chlorophenyl)-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-chlorophenyl)-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(2-chlorophenyl)-7-(methylthio)-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(2-chlorophenyl)-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-chlorophenyl)-7-(methylthio)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C19H16ClN3S MolecularWeight: 353.86844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(CN=C2C3=CC=CC=C3Cl)NCC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(CN=C2C3=CC=CC=C3Cl)NCC#C

InChI

InChI=1S/C19H16ClN3S/c1-3-10-21-18-12-22-19(14-6-4-5-7-16(14)20)15-11-13(24-2)8-9-17(15)23-18/h1,4-9,11H,10,12H2,2H3,(H,21,23)