5-methyl-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-methyl-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-methyl-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine CAS Name: 5-methyl-7-(methylthio)-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-methyl-7-methylsulfanyl-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-methyl-7-(methylthio)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C14H15N3S MolecularWeight: 257.354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC(=NC2=C1C=C(C=C2)SC)NCC#C

Isomeric SMILES

CC1=NCC(=NC2=C1C=C(C=C2)SC)NCC#C

InChI

InChI=1S/C14H15N3S/c1-4-7-15-14-9-16-10(2)12-8-11(18-3)5-6-13(12)17-14/h1,5-6,8H,7,9H2,2-3H3,(H,15,17)